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| CAS No.: | 17648-03-2 |
|---|---|
| Name: | 2,3-DIHYDRO-9,10-DIHYDROXY-1,4-ANTHRACENEDIONE |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C14H10O4 |
| Molecular Weight: | 242.231 |
| Synonyms: | Leucoquinizarin(8CI);2,3-Dihydro-9,10-dihydroxy-1,4-anthracenedione;2,3-Dihydro-9,10-dihydroxyanthraquinone;Dihydroquinizarin;9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione;1,4-anthracenedione, 2,3-dihydro-9,10-dihydroxy-;9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione;Leucoquinizarin; |
| EINECS: | 207-507-8 |
| Density: | 1.511 g/cm3 |
| Melting Point: | 154-157 °C(lit.) |
| Boiling Point: | 575.8 °C at 760 mmHg |
| Flash Point: | 316 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-43 |
| Safety: | 24/25-26 |
| PSA: | 74.60000 |
| LogP: | 2.41020 |
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Specification
The 1,4-Anthracenedione,2,3-dihydro-9,10-dihydroxy-, with the CAS registry number 17648-03-2 and EINECS registry number 207-507-8, has the systematic name of 9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione. It belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C14H10O4.
The characteristics of 1,4-Anthracenedione,2,3-dihydro-9,10-dihydroxy- are as followings: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 896.1; (6)ACD/BCF (pH 7.4): 567.49; (7)ACD/KOC (pH 5.5): 4508.16; (8)ACD/KOC (pH 7.4): 2854.97; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 64.9 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 25.73×10-24cm3; (17)Surface Tension: 79.3 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 316 °C; (20)Enthalpy of Vaporization: 89.43 kJ/mol; (21)Boiling Point: 575.8 °C at 760 mmHg; (22)Vapour Pressure: 7.4E-14 mmHg at 25°C.
Uses of 1,4-Anthracenedione,2,3-dihydro-9,10-dihydroxy-: It can react with methanol to produce 1-hydroxy-4-methoxy-anthraquinone. This reaction will need reagent SOCl2, and the temperature of 60-70°C, and the yield is about 98%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it may also cause sensitization by skin contact . Therefore, you had better take the following instructions: Avoid contact with skin and eyes, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3c2c(O)c1ccccc1c(O)c2C(=O)CC3
(2)InChI: InChI=1/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,17-18H,5-6H2
(3)InChIKey: FVXPBEUYCCZFJT-UHFFFAOYAM